SCHEMBL7028236

SCHEMBL7028236

CCOC(=O)C(C#N)c1cc(C(C)(C(=O)OCC)C(=O)OCC)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
FBP1 P09467 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7035878 0.83 ALDH1A1 (0.52) MAPTTHRBSMN1; SMN2KMT2AMEN1
SCHEMBL25300687 0.82 KMT2A (0.42) MAPTSMN1; SMN2KMT2AGAAMEN1
SCHEMBL30484131 0.82 KMT2A (0.42) MAPTSMN1; SMN2KMT2AGAAMEN1
SCHEMBL7034248 0.80 ALDH1A1 (0.46) MAPTTHRBSMN1; SMN2KMT2AGAA
SCHEMBL4573533 0.80 MAPT (0.49) MAPTSMN1; SMN2KMT2AGAAMEN1
SCHEMBL6646756 0.78 KMT2A (0.47) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL8893024 0.78 HPD (0.46) MAPTTHRBKMT2AGAAMEN1
SCHEMBL7677183 0.78 ALDH1A1 (0.56) MAPTSMN1; SMN2KMT2AGAAMEN1
SCHEMBL142930 0.77 THRB (0.44) MAPTTHRBSMN1; SMN2KMT2AMEN1
SCHEMBL7035586 0.77 THRB (0.52) MAPTTHRBKMT2AGAAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922704-B1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO (JP) 2003-03-05 EP disclosed
US-6111115-A Preparation of 2-(10,11-dihydro-10-oxodibenzo-[b,f]thiepin-2-yl) propionic acid NIPPON CHEMIPHAR CO., LTD. (JP) 2000-08-29 US disclosed
EP-0922704-A1 PROCESS FOR PREPARING 2-(10,11-DIHYDRO-10-OXODIBENZO b,f]THIEPIN-2-YL)PROPIONIC ACID AND INTERMEDIATES THEREFOR NIPPON CHEMIPHAR CO., LTD. (JP) 1999-06-16 EP disclosed